5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide

C12H16N2O2S3 — CID 79488304

IUPAC5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide
SMILESCN(CCc1cccs1)S(=O)(=O)c1csc(CN)c1
InChIInChI=1S/C12H16N2O2S3/c1-14(5-4-10-3-2-6-17-10)19(15,16)12-7-11(8-13)18-9-12/h2-3,6-7,9H,4-5,8,13H2,1H3
InChIKeyOUWHVIITQTULNV-UHFFFAOYSA-N
MW316.47 g/mol
LogP2.13
Rot. Bonds6

About 5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide

5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide (PubChem CID 79488304) has the molecular formula C12H16N2O2S3 and a molecular weight of 316.47 g/mol. Its IUPAC name is 5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide
PubChem CID79488304
Molecular FormulaC12H16N2O2S3
Molecular Weight316.47 g/mol
Exact Mass316.04
IUPAC Name5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide
SMILESCN(CCc1cccs1)S(=O)(=O)c1csc(CN)c1
InChIInChI=1S/C12H16N2O2S3/c1-14(5-4-10-3-2-6-17-10)19(15,16)12-7-11(8-13)18-9-12/h2-3,6-7,9H,4-5,8,13H2,1H3
InChIKeyOUWHVIITQTULNV-UHFFFAOYSA-N
XLogP2.13
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79475968
4-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79494682
4-[methyl(2-thiophen-2-ylethyl)sulfamoyl]benzenecarbothioamide
CID 79491705
3-(hydroxymethyl)-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79488125
3,4-dimethoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 110733478
2-amino-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide
CID 79019425
3-(aminomethyl)-N,2-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79489922
N-methyl-3-nitro-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 110733501
5-amino-2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79476559
4-(aminomethyl)-N,5-dimethyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-3-sulfonamide
CID 79488128
5-(ethylaminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrrole-3-sulfonamide
CID 79489710
5-[methyl(2-thiophen-2-ylethyl)sulfamoyl]furan-2-carboxylic acid
CID 79486620

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide (CID 79488304) is 5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide is CN(CCc1cccs1)S(=O)(=O)c1csc(CN)c1.
What is the InChIKey of 5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide?
The InChIKey is OUWHVIITQTULNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S3/c1-14(5-4-10-3-2-6-17-10)19(15,16)12-7-11(8-13)18-9-12/h2-3,6-7,9H,4-5,8,13H2,1H3.
What are the key properties of 5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide?
5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide has a molecular weight of 316.47 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 79488304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).